guanidine; [4,5,6-tris(oxidanyl)-1-oxidanylidene-2-phosphonatooxy-hexan-3-yl] phosphate

Systemtic Name: guanidine; [4,5,6-tris(oxidanyl)-1-oxidanylidene-2-phosphonatooxy-hexan-3-yl] phosphate Openeye Name: (1-formyl-3,4,5-trihydroxy-2-phosphonatooxy-pentyl) phosphate; guanidine CAS Name: guanidine; (4,5,6-trihydroxy-1-oxo-2-phosphonatooxyhexan-3-yl) phosphate IUPAC Name: guanidine; (4,5,6-trihydroxy-1-oxo-2-phosphonatooxyhexan-3-yl) phosphate Traditional Name: (1-formyl-3,4,5-trihydroxy-2-phosphato-pentyl) phosphate; guanidine Formula: C7H15N3O12P2-4 MolecularWeight: 395.154422

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(C(C(C=O)OP(=O)([O-])[O-])OP(=O)([O-])[O-])O)O)O.C(=N)(N)N

Isomeric SMILES

C(C(C(C(C(C=O)OP(=O)([O-])[O-])OP(=O)([O-])[O-])O)O)O.C(=N)(N)N

InChI

InChI=1S/C6H14O12P2.CH5N3/c7-1-3(9)5(10)6(18-20(14,15)16)4(2-8)17-19(11,12)13;2-1(3)4/h2-7,9-10H,1H2,(H2,11,12,13)(H2,14,15,16);(H5,2,3,4)/p-4